UCSF

ZINC02508246

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.64 -6.44 -12.29 5 6 0 118 180.156 5
Ref Reference (pH 7) -2.64 -7.83 -12.71 5 6 0 118 180.156 5
Hi High (pH 8-9.5) -3.50 -6.64 -55.32 4 6 -1 121 179.148 5

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Patent Database Links US2003008833 ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )